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  1. Third-Parties
  2. MatprojStructure
  3. mp-1638745

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1638745
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Fe', 'Ni', 'O']
  • Chemical System: Ca-Fe-La-Ni-O
  • Density: 5.59443854967728
  • Atomic Density: 0.08649272454144333
  • Unit Cell Volume: 231.2333217161742
  • Molar Volume: 6.9625980588858285
  • Full Formula: Ca2 La2 Fe2 Ni2 O12
  • Reduced Formula: CaLaFeNiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -148.72994835
  • Final energy per atom: -7.4364974175
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.